General Information of the Compound
| Compound ID |
CP0374153
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| Compound Name |
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine
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| Structure |
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| Formula |
C22H20N2OS
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| Molecular Weight |
360.482
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| Canonical SMILES |
COc1ccc2cc(CNCc3ccccc3)c(nc2c1)-c1ccsc1
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| InChI |
InChI=1S/C22H20N2OS/c1-25-20-8-7-17-11-19(14-23-13-16-5-3-2-4-6-16)22(24-21(17)12-20)18-9-10-26-15-18/h2-12,15,23H,13-14H2,1H3
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| InChIKey |
XMKMXRAPYUXWLB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1